[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene

C11H14O2 — CID 163224715

IUPAC[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
SMILESCO[C@@H]1C[C@H]1OCc1ccccc1
InChIInChI=1S/C11H14O2/c1-12-10-7-11(10)13-8-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-/m1/s1
InChIKeySWXWGJIEQBHQJK-GHMZBOCLSA-N
MW178.23 g/mol
LogP1.99
Rot. Bonds4

About [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene

[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene (PubChem CID 163224715) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
PubChem CID163224715
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
SMILESCO[C@@H]1C[C@H]1OCc1ccccc1
InChIInChI=1S/C11H14O2/c1-12-10-7-11(10)13-8-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-/m1/s1
InChIKeySWXWGJIEQBHQJK-GHMZBOCLSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 14850336
(1R,2S,4R,5R,7S)-4-methoxy-7-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851120
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646
(2S,4R,7S)-7-ethyl-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70383436
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
CID 142842449
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene?
The IUPAC name of [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene (CID 163224715) is [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene.
What is the SMILES notation for [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene?
The canonical SMILES for [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene is CO[C@@H]1C[C@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene?
The InChIKey is SWXWGJIEQBHQJK-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14O2/c1-12-10-7-11(10)13-8-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene?
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene has a molecular weight of 178.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene is sourced from PubChem (CID 163224715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).